Solid State

Exploring the bonding and elucidating the character of the excited states of Hexanuclear copper complexes with thiourea derivatives as ligands

Structural ambiguity and tendency to engage in different secondary bonding interactions (SBIs) indicate a high uncertainty of the true electronic structure of this compound

Theoretical investigations of dye-sensitized solar cells (DSSCs) using linear response time-dependent density functional theory (LR-TDDFT) and electron dynamics